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Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Gaussian graphical models typically assume a homogeneous structure across all subjects, which is often restrictive in applications. In this article, we propose a weighted pseudo-likelihood approach for graphical modeling which allows…

Methodology · Statistics 2023-03-17 Sutanoy Dasgupta , Peng Zhao , Jacob Helwig , Prasenjit Ghosh , Debdeep Pati , Bani K. Mallick

We study the problem of learning the Markov order in categorical sequences that represent paths in a network, i.e. sequences of variable lengths where transitions between states are constrained to a known graph. Such data pose challenges…

Machine Learning · Computer Science 2020-07-07 Luka V. Petrović , Ingo Scholtes

To accomplish correct Bayesian inference from weak lensing shear data requires a complete statistical description of the data. The natural framework to do this is a Bayesian Hierarchical Model, which divides the chain of reasoning into…

Cosmology and Nongalactic Astrophysics · Physics 2016-02-18 Alan Heavens , Justin Alsing , Andrew Jaffe , Till Hoffmann , Alina Kiessling , Benjamin Wandelt

Graph Laplacian learning, also known as network topology inference, is a problem of great interest to multiple communities. In Gaussian graphical models (GM), graph learning amounts to endowing covariance selection with the Laplacian…

Machine Learning · Computer Science 2024-02-14 Changhao Shi , Gal Mishne

In this paper, we propose a graph classification approach for automatically determining whether to use a monolithic or a decomposition-based solution method. In this approach, an optimization problem is represented as a graph that captures…

Optimization and Control · Mathematics 2023-10-12 Ilias Mitrai , Prodromos Daoutidis

Magnetic Resonance Imaging (MRI) is crucial for clinical diagnostics but is hindered by prolonged scan times. Current deep learning models enhance MRI reconstruction but are often memory-intensive and unsuitable for resource-limited…

Image and Video Processing · Electrical Eng. & Systems 2025-07-17 Haosen Zhang , Jiahao Huang , Yinzhe Wu , Congren Dai , Fanwen Wang , Zhenxuan Zhang , Guang Yang

Sum-product networks (SPNs) are flexible density estimators and have received significant attention due to their attractive inference properties. While parameter learning in SPNs is well developed, structure learning leaves something to be…

Machine Learning · Computer Science 2019-11-05 Martin Trapp , Robert Peharz , Hong Ge , Franz Pernkopf , Zoubin Ghahramani

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

Graph Auto-Encoders (GAEs) are powerful tools for graph representation learning. In this paper, we develop a novel Hierarchical Cluster-based GAE (HC-GAE), that can learn effective structural characteristics for graph data analysis. To this…

Machine Learning · Computer Science 2024-05-24 Zhuo Xu , Lu Bai , Lixin Cui , Ming Li , Yue Wang , Edwin R. Hancock

Our capacity to learn representations from data is related to our ability to design filters that can leverage their coupling with the underlying domain. Graph filters are one such tool for network data and have been used in a myriad of…

Signal Processing · Electrical Eng. & Systems 2022-03-16 Bishwadeep Das , Elvin Isufi

Graphical models provide a powerful methodology for learning the conditional independence structure in multivariate data. Inference is often focused on estimating individual edges in the latent graph. Nonetheless, there is increasing…

Methodology · Statistics 2023-12-15 Willem van den Boom , Maria De Iorio , Alexandros Beskos

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Theory of graphical models has matured over more than three decades to provide the backbone for several classes of models that are used in a myriad of applications such as genetic mapping of diseases, credit risk evaluation, reliability and…

Machine Learning · Statistics 2014-11-13 Henrik Nyman , Johan Pensar , Timo Koski , Jukka Corander

Likelihood based-learning of graphical models faces challenges of computational-complexity and robustness to model mis-specification. This paper studies methods that fit parameters directly to maximize a measure of the accuracy of predicted…

Machine Learning · Computer Science 2014-07-04 Justin Domke

In this paper we propose and study a technique to reduce the number of parameters and computation time in fully-connected layers of neural networks using Kronecker product, at a mild cost of the prediction quality. The technique proceeds by…

Neural and Evolutionary Computing · Computer Science 2015-07-23 Shuchang Zhou , Jia-Nan Wu

Kernel methods are ubiquitous tools in machine learning. However, there is often little reason for the common practice of selecting a kernel a priori. Even if a universal approximating kernel is selected, the quality of the finite sample…

Machine Learning · Statistics 2018-01-31 Junier Oliva , Avinava Dubey , Andrew G. Wilson , Barnabas Poczos , Jeff Schneider , Eric P. Xing

Learning rich representation from data is an important task for deep generative models such as variational auto-encoder (VAE). However, by extracting high-level abstractions in the bottom-up inference process, the goal of preserving all…

Machine Learning · Computer Science 2020-02-26 Zhiyuan Li , Jaideep Vitthal Murkute , Prashnna Kumar Gyawali , Linwei Wang

This paper deals with the Gaussian process based approximation of a code which can be run at different levels of accuracy. This method, which is a particular case of co-kriging, allows us to improve a surrogate model of a complex computer…

Statistics Theory · Mathematics 2012-09-25 Loic Le Gratiet

Many biological networks include cyclic structures. In such cases, Bayesian networks (BNs), which must be acyclic, are not sound models for structure learning. Dynamic BNs can be used but require relatively large time series data. We…

Methodology · Statistics 2020-02-18 Witold Wiecek , Frederic Y. Bois , Ghislaine Gayraud
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